SCHEMBL7230669

SCHEMBL7230669

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCCC(C)(C)C)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC(C)=O)[C@@H]2O)n1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.63
ADORA3 P0DMS8 19/20 0.63
ADORA1 P30542 12/20 0.63
ADORA2B P29275 11/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7520311 0.91 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7463149 0.91 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7520314 0.91 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7229470 0.84 ADORA3 (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093481 0.84 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7231578 0.84 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7651038 0.83 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7651032 0.83 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7651022 0.83 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7757115 0.83 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528494-B2 Antiinflammatory agents COX BRIAN (GB) 2003-03-04 US disclosed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP disclosed
US-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives COX BRIAN (GB) 2002-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives PURB, P2RX3, P2RY2 ADORA2A 202/4885ADORA3 182/4885ADORA1 135/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.